NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9657 8.3549 109.7371 45.3977 0.0000 172.7103 2 L 4.2449 7.9553 118.8230 51.1910 42.9315 176.1400 3 S 4.4438 9.7610 119.0175 57.9813 66.0332 174.9650 4 D 4.6409 8.7819 122.0892 57.6737 40.5534 179.3574 5 G 3.6711 8.1178 105.5211 47.8368 0.0000 175.3943 6 E 3.8663 8.2409 121.0181 58.9966 29.4661 179.2684 7 W 4.5587 8.1954 119.2220 60.1498 29.1244 178.3840 8 Q 4.0604 8.3067 119.2551 59.1638 28.4156 178.1852 9 Q 4.0357 8.1131 119.1039 58.9984 28.8130 178.7675 10 V 3.7068 8.1267 119.4823 66.4668 31.3621 178.1061 11 L 4.2779 8.1491 116.5003 57.0381 41.6148 178.8559 12 N 4.4742 8.3116 117.6847 56.6719 38.9191 176.6883 13 V 3.5611 8.1204 120.0879 66.1645 31.5698 177.8247 14 W 4.1101 8.6224 127.7183 60.1866 30.2222 177.7552 15 G 3.8159 7.6971 105.1385 47.9809 0.0000 175.4286 16 K 3.9789 8.0463 120.6582 59.1933 32.1351 179.6699 17 V 2.7010 6.8787 117.9829 65.6180 31.1287 177.7390 18 E 3.8647 7.4941 116.6627 58.6435 29.2872 178.6645 19 A 4.2468 7.3219 120.0174 53.6274 19.8416 177.6417 20 D 4.6404 7.6123 116.3757 52.2368 42.8727 175.2397 21 I 3.6185 7.9392 123.4792 63.5573 38.4725 176.6696 22 A 4.1940 7.4080 122.6607 54.4821 18.2873 179.7527 23 G 3.5964 8.2228 105.5481 47.7012 0.0000 175.6791 24 H 4.0936 8.3302 119.2350 58.2948 28.7227 177.9619 25 G 3.6222 8.4521 107.7839 47.8948 0.0000 175.2221 26 Q 3.8406 8.2421 122.9296 58.8672 28.9945 178.3583 27 E 3.8776 8.0839 119.3807 59.2226 29.4588 179.4161 28 V 3.5083 7.8540 118.3191 66.0587 31.5237 178.0761 29 L 3.3602 7.6216 118.3580 57.6476 41.3161 179.5012 30 I 3.5894 7.7462 120.0534 64.3646 37.0347 178.3565 31 R 3.7874 8.0573 119.6255 59.2607 29.8149 178.3702 32 L 3.9358 7.7562 119.9390 58.2426 41.8877 178.9651 33 F 4.5302 8.0432 118.3934 60.8772 38.6178 177.8267 34 T 4.0677 8.1730 108.9156 64.6391 68.8573 176.8471 35 G 3.6544 7.9963 107.5766 46.1395 0.0000 173.5839 36 H 4.7346 8.1248 117.7709 52.0931 29.4211 171.9885 37 P 4.4956 0.0000 0.0000 64.3454 31.2324 177.4791 38 E 4.0803 8.2772 116.5758 59.4835 29.3323 179.2010 39 T 3.7578 8.1515 111.3012 64.5668 68.8700 176.1611 40 L 3.5097 7.8259 123.2802 57.9554 41.7752 178.7674 41 E 4.1639 7.8322 116.8775 58.5926 29.4506 178.6431 42 K 4.4931 8.1491 117.2316 56.6895 32.9258 176.8949 43 F 4.6198 8.1891 119.1335 55.1837 38.9991 175.4498 44 D 4.4016 8.7062 126.5584 57.0370 40.7612 178.3242 45 K 4.1823 7.8020 115.0173 57.4870 33.1981 176.9108 46 F 5.0618 8.0458 117.5308 56.9769 40.5554 176.8295 47 K 4.0439 8.1178 119.7389 59.1220 32.6223 177.8266 48 H 4.2237 8.1586 114.4618 57.4860 28.6062 175.2592 49 L 4.1423 7.4799 120.9382 54.3107 40.8523 176.4417 50 K 4.2629 9.1716 125.1141 57.4238 33.1609 178.1026 51 T 4.6953 7.5971 107.8899 59.2072 72.7797 174.3194 52 E 3.9087 8.7572 122.2069 59.5231 29.5435 179.1353 53 A 3.9793 7.9353 120.3203 55.1035 18.2859 179.1998 54 E 3.9016 7.9330 115.9725 59.7649 29.8497 179.1350 55 M 4.1252 7.9218 118.5729 58.4819 31.8815 178.6585 56 K 3.8431 8.1569 118.2291 59.2751 32.4215 177.7404 57 A 4.4858 7.7152 118.0588 51.5204 19.0392 176.9877 58 S 4.3661 7.6517 114.0364 57.3892 62.5791 174.7171 59 E 4.0309 8.8192 128.6890 59.3612 29.2484 178.6829 60 D 4.4331 8.1712 117.9038 56.9862 41.2941 177.8681 61 L 3.6124 7.9887 120.7575 57.7402 42.0163 178.8761 62 K 3.8617 7.7912 119.6856 59.2433 32.1886 178.4304 63 K 3.8749 8.3403 120.2667 60.0548 32.0872 177.9638 64 H 4.3623 8.9285 118.8230 59.3270 29.7230 177.1585 65 G 3.7028 8.3881 107.6243 48.2784 0.0000 175.6758 66 T 3.8791 8.0928 118.1652 66.2448 68.4806 176.8818 67 V 3.6506 7.7893 120.0781 65.9998 31.6073 177.9102 68 V 3.6159 8.1093 118.2734 66.4613 31.3998 178.0905 69 L 4.2876 8.2878 118.4957 57.8039 41.4946 179.6550 70 T 3.9679 8.1953 115.7732 66.5821 68.5481 176.3470 71 A 4.0102 8.0835 122.5905 55.1063 18.3489 179.4355 72 L 3.6883 8.0979 118.8960 58.0662 42.1692 179.2222 73 G 3.1401 8.6434 106.1166 47.5799 0.0000 175.5701 74 G 3.6913 7.7932 106.9969 47.6412 0.0000 175.5002 75 I 3.8456 7.4336 121.8354 64.0428 37.1188 178.5420 76 L 3.9277 7.7957 120.1321 57.7128 41.1743 179.7013 77 K 3.8977 7.6664 116.8693 58.5563 32.2481 178.9231 78 K 3.9130 7.8137 117.9576 56.3151 32.4923 176.6528 79 K 2.0000 8.2595 118.2546 56.3928 29.6864 175.9592 80 G 3.8916 7.8117 105.8652 45.7536 0.0000 173.6633 81 H 4.5465 7.3603 119.2397 55.3883 27.5504 174.9398 82 H 5.3498 7.2837 110.8392 54.3499 29.7595 176.0091 83 E 3.9259 8.6002 122.2167 60.1691 29.0327 178.6474 84 A 3.9969 7.9331 118.5084 55.3037 18.0306 178.9879 85 E 4.0866 8.1288 116.6300 59.1407 29.6936 178.8983 86 L 4.1778 8.4046 120.7082 57.2910 42.2070 178.3354 87 K 3.8082 8.2133 120.1475 59.2681 32.0231 176.8458 88 P 4.2581 0.0000 0.0000 65.7856 31.1187 178.2792 89 L 4.0015 7.4868 115.1803 57.5385 41.6230 178.9819 90 A 4.1116 8.4059 121.0495 55.7153 18.2640 179.8306 91 Q 3.9501 8.4881 116.8846 58.9586 28.7185 179.0668 92 S 4.0382 8.4481 115.7315 61.6489 63.1400 176.3373 93 H 4.1903 8.5484 119.6674 58.3414 28.3415 177.5847 94 A 2.5800 7.8255 122.5753 54.8959 17.9139 179.7917 95 T 3.6426 7.3883 112.7187 65.7082 68.8197 176.4831 96 K 3.9766 7.4572 120.2058 59.1192 32.5980 177.2816 97 H 4.3683 7.8468 113.5200 55.6145 29.5442 175.3244 98 K 3.7338 7.3445 117.0966 56.2073 29.0191 176.3413 99 I 4.3545 7.9144 119.0157 59.0017 37.9805 175.0710 100 P 4.4725 0.0000 0.0000 62.1633 32.0366 177.4651 101 I 3.6150 8.7142 120.9894 64.3465 37.5515 177.8770 102 K 3.5866 7.9870 119.8469 59.8664 31.7978 178.0883 103 Y 4.3631 8.1950 117.1713 60.8606 37.7566 178.1917 104 L 4.1782 7.8496 119.8164 57.3943 41.8132 178.7292 105 E 3.9149 8.1652 119.3886 59.4364 29.6069 178.6740 106 F 4.4931 8.1632 118.1251 61.0686 38.9724 177.6834 107 I 3.8888 8.2396 117.8273 63.7424 37.8013 178.0201 108 S 4.2161 8.2561 116.4000 61.8878 62.6897 176.3659 109 D 4.4638 8.3597 121.1435 57.3562 40.5064 178.7461 110 A 4.0372 8.3208 121.2938 55.1184 18.2952 179.6229 111 I 3.6497 8.0200 118.3345 64.7401 37.3795 178.5208 112 I 3.8823 7.7602 120.3213 64.7664 36.8858 177.9477 113 H 4.1431 8.5540 118.9428 59.3851 29.8082 177.1961 114 V 3.5123 8.1779 120.4190 66.1117 31.3304 177.8065 115 L 3.7983 8.0016 118.5089 58.2824 41.1741 179.3355 116 H 4.3831 7.9007 114.2648 58.8754 28.6696 177.6275 117 S 4.1855 7.9732 114.4869 61.3119 62.3831 176.1020 118 K 4.0415 8.3048 119.8547 58.2282 32.8969 176.8569 119 H 4.9762 8.0289 116.3307 53.8328 29.5478 171.8860 120 P 4.5152 0.0000 0.0000 64.1048 31.9420 177.4014 121 G 3.9979 9.0933 109.7418 45.8976 0.0000 172.9167 122 D 4.9851 8.3793 118.2358 53.6437 41.7717 176.0305 123 F 4.9886 8.0908 119.7821 54.8930 39.6284 174.5097 124 G 3.8455 8.1492 112.9095 43.1900 0.0000 170.7723 125 A 3.9078 8.4105 121.7524 55.0725 18.1697 179.6649 126 D 4.1922 7.9686 116.7698 56.5212 39.5174 178.3258 127 A 3.9907 7.8961 122.1550 54.7228 18.3536 178.9477 128 Q 3.5343 7.8289 118.4043 59.1701 28.9916 178.6098 129 G 3.7323 7.9886 106.3271 47.9728 0.0000 175.0692 130 A 3.8556 8.0593 123.7012 54.9534 18.4794 179.1515 131 M 3.9964 8.4110 116.7207 59.2905 32.1888 178.5564 132 T 3.9280 8.3044 115.9639 66.6384 68.5532 176.6979 133 K 4.0206 8.1581 120.1194 59.4235 32.0614 179.2462 134 A 3.8398 7.9970 121.0129 55.1536 18.1973 179.7556 135 L 4.1025 8.1221 117.5137 57.8100 41.6208 179.5390 136 E 3.9669 8.5518 118.9628 59.2230 29.4174 178.8005 137 L 3.9857 8.1674 120.7025 58.3579 42.1127 178.5668 138 F 4.1468 8.3776 120.1535 61.5051 39.2562 176.8342 139 R 3.5501 8.3846 118.2589 59.5742 29.8821 178.0377 140 N 4.2732 8.7322 117.1169 56.7144 38.7842 176.6123 141 D 4.3711 8.2387 120.4765 57.0279 40.8043 178.8213 142 I 3.4576 7.4961 120.2072 64.2175 36.9943 178.0750 143 A 3.7239 8.0080 121.7383 55.1982 18.0771 179.4922 144 A 3.9327 7.9584 119.0508 55.3503 18.4589 180.0544 145 K 4.0207 7.8568 117.1063 59.7496 32.0043 179.2832 146 Y 4.2463 8.3958 117.4194 60.9434 37.8411 178.2802 147 K 3.9288 8.4318 120.7810 59.4406 32.0623 178.1263 148 E 3.9493 7.9408 118.4548 59.5804 29.6511 178.6103 149 L 4.2536 7.9287 116.1801 54.8559 41.8300 177.3797 150 G 3.8976 7.7948 106.6672 46.2855 0.0000 173.1551 151 F 4.3767 8.3335 122.2112 57.6935 40.1378 175.5506 152 Q 3.5066 7.7931 125.6203 56.2565 28.1538 173.2490 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 G 8.35 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 L 7.96 4.24 0.00 0.32 0.63 0.53 -0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 3 S 9.76 4.44 0.00 4.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 D 8.78 4.64 0.00 2.77 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 G 8.12 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 E 8.24 3.87 0.00 2.07 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.27 0.00 7 W 8.20 4.56 0.00 3.50 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 Q 8.31 4.06 0.00 2.23 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.41 2.46 0.00 9 Q 8.11 4.04 0.00 2.35 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.52 0.00 0.00 0.00 0.00 0.00 2.42 2.48 0.00 10 V 8.13 3.71 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.86 0.00 0.00 11 L 8.15 4.28 0.00 1.76 1.80 0.91 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.31 4.47 0.00 2.94 3.01 0.00 0.00 6.63 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 8.12 3.56 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 1.17 0.00 0.00 14 W 8.62 4.11 0.00 3.63 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 G 7.70 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 K 8.05 3.98 0.00 1.60 1.46 0.00 1.42 0.00 0.00 1.01 0.00 0.00 3.06 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.24 1.28 7.81 17 V 6.88 2.70 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.14 0.00 0.00 0.18 0.00 0.00 18 E 7.49 3.86 0.00 1.87 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.21 0.00 19 A 7.32 4.25 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 D 7.61 4.64 0.00 2.73 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 I 7.94 3.62 1.79 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.73 0.89 0.00 0.00 22 A 7.41 4.19 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 G 8.22 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 H 8.33 4.09 0.00 3.16 3.22 0.00 5.83 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 G 8.45 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 8.24 3.84 0.00 2.04 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.74 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 27 E 8.08 3.88 0.00 1.96 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.38 0.00 28 V 7.85 3.51 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.95 0.00 0.00 29 L 7.62 3.36 0.00 1.48 0.77 0.83 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.75 3.59 1.77 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.72 0.87 0.00 0.00 31 R 8.06 3.79 0.00 1.93 2.10 0.00 3.04 0.00 0.00 2.98 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 32 L 7.76 3.94 0.00 1.78 1.47 1.06 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 33 F 8.04 4.53 0.00 2.99 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 T 8.17 4.07 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 35 G 8.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 H 8.12 4.73 0.00 2.99 3.05 0.00 5.63 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.50 0.00 2.15 2.09 0.00 3.84 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.98 0.00 38 E 8.28 4.08 0.00 2.31 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.60 0.00 39 T 8.15 3.76 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 40 L 7.83 3.51 0.00 1.45 1.73 -0.18 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.83 4.16 0.00 2.22 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.54 0.00 42 K 8.15 4.49 0.00 1.91 1.76 0.00 1.94 0.00 0.00 1.81 0.00 0.00 3.23 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.76 2.01 7.81 43 F 8.19 4.62 0.00 3.28 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 D 8.71 4.40 0.00 2.63 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 K 7.80 4.18 0.00 1.61 1.73 0.00 1.34 0.00 0.00 1.49 0.00 0.00 2.77 0.00 0.00 2.60 0.00 0.00 0.00 0.00 0.92 0.21 7.81 46 F 8.05 5.06 0.00 2.77 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 K 8.12 4.04 0.00 1.86 1.96 0.00 1.60 0.00 0.00 1.78 0.00 0.00 2.99 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.71 1.45 7.81 48 H 8.16 4.22 0.00 3.28 3.51 0.00 5.72 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.48 4.14 0.00 1.59 1.59 0.81 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 50 K 9.17 4.26 0.00 1.87 1.85 0.00 1.65 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.56 1.51 7.81 51 T 7.60 4.70 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 52 E 8.76 3.91 0.00 2.04 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 53 A 7.94 3.98 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 E 7.93 3.90 0.00 2.18 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 55 M 7.92 4.13 0.00 2.05 2.26 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.53 0.00 56 K 8.16 3.84 0.00 1.83 1.95 0.00 1.63 0.00 0.00 1.67 0.00 0.00 3.08 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.48 7.81 57 A 7.72 4.49 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 S 7.65 4.37 0.00 4.02 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 E 8.82 4.03 0.00 2.05 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.32 0.00 60 D 8.17 4.43 0.00 2.91 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 L 7.99 3.61 0.00 1.46 1.66 0.74 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.79 3.86 0.00 1.81 1.95 0.00 1.85 0.00 0.00 1.57 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.58 7.81 63 K 8.34 3.87 0.00 2.00 2.12 0.00 1.76 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.52 7.81 64 H 8.93 4.36 0.00 3.75 3.69 0.00 5.85 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 G 8.39 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 T 8.09 3.88 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 67 V 7.79 3.65 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 1.03 0.00 0.00 68 V 8.11 3.62 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.95 0.00 0.00 69 L 8.29 4.29 0.00 1.78 1.85 0.82 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.20 3.97 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 71 A 8.08 4.01 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 L 8.10 3.69 0.00 1.62 1.80 -0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.64 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 G 7.79 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 I 7.43 3.85 1.87 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.98 0.97 0.00 0.00 76 L 7.80 3.93 0.00 1.21 1.52 0.02 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.67 3.90 0.00 1.61 1.77 0.00 1.66 0.00 0.00 1.69 0.00 0.00 3.10 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.40 1.44 7.81 78 K 7.81 3.91 0.00 1.85 1.81 0.00 1.73 0.00 0.00 1.59 0.00 0.00 2.89 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.58 1.74 7.81 79 K 8.26 2.00 0.00 1.15 0.74 0.00 1.39 0.00 0.00 1.55 0.00 0.00 2.79 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.53 1.02 7.81 80 G 7.81 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 H 7.36 4.55 0.00 3.15 3.23 0.00 5.80 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.28 5.35 0.00 3.28 3.43 0.00 5.66 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.60 3.93 0.00 2.12 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.47 0.00 84 A 7.93 4.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 E 8.13 4.09 0.00 2.23 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.43 0.00 86 L 8.40 4.18 0.00 1.69 1.71 0.66 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 87 K 8.21 3.81 0.00 1.98 1.82 0.00 1.85 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.48 7.81 88 P 0.00 4.26 0.00 2.33 2.31 0.00 3.72 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.12 0.00 89 L 7.49 4.00 0.00 1.98 1.78 1.05 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.41 4.11 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 Q 8.49 3.95 0.00 2.08 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.76 0.00 0.00 0.00 0.00 0.00 2.38 2.58 0.00 92 S 8.45 4.04 0.00 3.96 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 H 8.55 4.19 0.00 3.50 3.58 0.00 5.81 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 A 7.83 2.58 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 T 7.39 3.64 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 96 K 7.46 3.98 0.00 1.51 1.49 0.00 1.68 0.00 0.00 1.59 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.24 1.34 7.81 97 H 7.85 4.37 0.00 3.04 3.14 0.00 5.86 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 7.34 3.73 0.00 1.93 2.00 0.00 1.80 0.00 0.00 1.21 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.30 1.36 7.81 99 I 7.91 4.35 2.11 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.95 1.21 0.00 0.00 100 P 0.00 4.47 0.00 1.68 1.68 0.00 3.09 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 1.52 0.00 101 I 8.71 3.61 1.83 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.07 0.86 0.00 0.00 102 K 7.99 3.59 0.00 1.72 1.58 0.00 1.57 0.00 0.00 1.77 0.00 0.00 3.18 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.28 0.50 7.81 103 Y 8.19 4.36 0.00 3.19 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 L 7.85 4.18 0.00 1.76 1.71 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 105 E 8.17 3.91 0.00 1.98 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 106 F 8.16 4.49 0.00 3.23 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 I 8.24 3.89 2.04 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 1.14 0.00 0.00 108 S 8.26 4.22 0.00 4.19 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 D 8.36 4.46 0.00 2.99 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 A 8.32 4.04 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 I 8.02 3.65 2.13 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.77 1.00 0.00 0.00 112 I 7.76 3.88 2.17 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.55 1.14 0.00 0.00 113 H 8.55 4.14 0.00 3.31 3.53 0.00 5.80 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 8.18 3.51 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 1.00 0.00 0.00 115 L 8.00 3.80 0.00 1.31 0.50 0.49 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 116 H 7.90 4.38 0.00 3.37 3.39 0.00 5.66 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 7.97 4.19 0.00 3.69 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 K 8.30 4.04 0.00 1.44 1.46 0.00 1.63 0.00 0.00 1.24 0.00 0.00 2.50 0.00 0.00 2.32 0.00 0.00 0.00 0.00 1.28 1.40 7.81 119 H 8.03 4.98 0.00 3.24 3.17 0.00 5.62 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.52 0.00 2.19 2.08 0.00 3.91 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 121 G 9.09 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 D 8.38 4.99 0.00 2.62 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 F 8.09 4.99 0.00 2.73 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 G 8.15 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 A 8.41 3.91 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 D 7.97 4.19 0.00 2.95 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 A 7.90 3.99 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 Q 7.83 3.53 0.00 1.21 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.67 0.00 0.00 0.00 0.00 0.00 2.25 2.20 0.00 129 G 7.99 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 A 8.06 3.86 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 M 8.41 4.00 0.00 2.41 2.33 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.83 0.00 132 T 8.30 3.93 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 133 K 8.16 4.02 0.00 1.84 1.65 0.00 1.57 0.00 0.00 1.49 0.00 0.00 2.80 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.50 7.81 134 A 8.00 3.84 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 L 8.12 4.10 0.00 1.94 1.83 1.02 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.55 3.97 0.00 2.13 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.53 0.00 137 L 8.17 3.99 0.00 1.90 2.03 0.98 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 138 F 8.38 4.15 0.00 3.14 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 R 8.38 3.55 0.00 2.07 2.06 0.00 3.19 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.52 0.00 140 N 8.73 4.27 0.00 2.93 2.78 0.00 0.00 7.30 8.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 D 8.24 4.37 0.00 2.75 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 I 7.50 3.46 1.48 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.15 0.16 0.00 0.00 143 A 8.01 3.72 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 A 7.96 3.93 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 K 7.86 4.02 0.00 1.95 1.94 0.00 1.71 0.00 0.00 1.77 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.66 1.62 7.81 146 Y 8.40 4.25 0.00 3.15 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 K 8.43 3.93 0.00 1.85 1.98 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.47 7.81 148 E 7.94 3.95 0.00 2.05 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 149 L 7.93 4.25 0.00 1.83 1.68 0.83 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 150 G 7.79 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 F 8.33 4.38 0.00 2.72 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 Q 7.79 3.51 0.00 1.64 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.85 6.42 0.00 0.00 0.00 0.00 0.00 1.74 2.02 0.00